SCHEMBL13319085

SCHEMBL13319085

C1=[N+](Cc2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MC4R P32245 1/20 0.38
DRD4 P21917 1/20 0.37
CHKA P35790 2/20 0.37
ACHE P22303 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
EEF2K O00418 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CCR3 P51677 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17965484 0.81 CA1 (0.42) SIGMAR1CHKAEEF2K
Hydrochloric Acid SCHEMBL251994 0.80 CA1 (0.41) SIGMAR1CHKAACHEEEF2K
SCHEMBL1836416 0.76 LMNA (0.46) SIGMAR1LMNAPOLBMC4RDRD4
Bromide SCHEMBL15993836 0.71 CHKA (0.36) SIGMAR1LMNAPOLBCHKAEEF2K
SCHEMBL28396396 0.71 POLB (0.41) SIGMAR1LMNAPOLBMC4RDRD4
SCHEMBL2228270 0.66 SIGMAR1 (0.56) SIGMAR1LMNAPOLBMC4RDRD4
Water SCHEMBL11786512 0.65 EEF2K (0.62) SIGMAR1LMNAPOLBMC4RACHE
Hydrochloric Acid SCHEMBL11780574 0.65 EEF2K (0.62) SIGMAR1LMNAPOLBMC4RACHE
SCHEMBL1044027 0.63 SIGMAR1 (0.52) SIGMAR1LMNAPOLBMC4RDRD4
SCHEMBL8188324 0.62 SIGMAR1 (1.00) SIGMAR1LMNAPOLBMC4RDRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN SIGMAR1 1390/4885LMNA 3174/4885POLB 1321/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.